SCHEMBL16474221

SCHEMBL16474221

CCN1CCN(c2ccc(-c3nc(Cl)c4nc[nH]c4n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.50
ACHE P22303 1/20 0.43
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
RAD52 P43351 1/20 0.41
GFER P55789 1/20 0.41
JAK2 O60674 2/20 0.40
CHRNA7 P36544 1/20 0.40
CNR2 P34972 1/20 0.39
PTK2 Q05397 2/20 0.39
CDK9 P50750 2/20 0.39
FGFR1 P11362 2/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
NTRK1 P04629 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14233661 0.87 ADORA1 (0.49) TLR9KDM4ERETALKRAB9A
SCHEMBL16474222 0.86 TLR9 (0.50) TLR9ACHEMAPTSMN1; SMN2KDM4E
SCHEMBL16474226 0.78 TLR9 (0.76) TLR9
SCHEMBL14233909 0.76 ACHE (0.53) TLR9ACHEMAPTSMN1; SMN2KDM4E
SCHEMBL16474215 0.75 ADORA3 (0.47) NPC1RAB9A
SCHEMBL14233654 0.73 ADORA1 (0.49) TLR9KDM4EAURKAFLT3RPS6KA3
SCHEMBL28084733 0.73 TLR9 (0.47) TLR9MAPTKDM4EGAAGFER
SCHEMBL14104418 0.72 ADORA3 (0.37) SMN1; SMN2MAPK9NPC1RAB9A
SCHEMBL8511903 0.72 KMT2A (0.49) MAPTSMN1; SMN2KDM4EGAARAB9A
SCHEMBL5162476 0.71 GAA (0.61) TLR9ACHEMAPTSMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353115-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2016-05-31 US disclosed
US-9353115-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2016-05-31 US disclosed
EP-2713737-B1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS INC (US) 2016-04-20 EP disclosed
US-20140107115-A1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS, INC. (US) 2014-04-17 US disclosed
US-20140107115-A1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS, INC. (US) 2014-04-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140107115-A1 NOVEL IMMUNE SYSTEM MODULATORS HLA-DRB1, CD47, MYD88 TLR9 19/4885ACHE 3450/4885MAPT 2510/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.